Vitas-M small molecule compound
ethyl 2-({[2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL050952
SMILES CCOc1ccc(cc1)n1c2nc3ccccc3nc2c(c1N)C(=O)NC1=C(C(=O)OCC)C2C(S1)CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H31N5O4S MW 557.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O4S/c1-3-38-18-15-13-17(14-16-18)35-26(31)24(25-27(35)33-21-11-7-6-10-20(21)32-25)28(36)34-29-23(30(37)39-4-2)19-9-5-8-12-22(19)40-29/h6-7,10-11,13-16,19,22H,3-5,8-9,12,31H2,1-2H3,(H,34,36)InChIKey
UYRVPDXQDHFDRG-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(C6CCCCC6S5)C(=O)OCC)N
ethyl2(((2amino1(4ethoxyphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
ethyl2((2amino1(4ethoxyphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)3a45677ahexahydro1benzothiophene3carboxylate
ethyl2(2amino1(4ethoxyphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)3a45677ahexahydrobenzo(b)thiophene3carboxylate
InChI=1SC30H31N5O4Sc133818151317(141618)3526(31)24(2527(35)332111761020(21)3225)28(36)342923(30(37)3942)199581222(19)4029h67101113161922H35891231H212H3(H3436)
MFCD02999219
ZINC000001874847
ZINC000001874850
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